SCHEMBL3845902

SCHEMBL3845902

CCCC[C@H]1CN(c2cccc(C)c2C)CC(=O)N1Cc1cncn1Cc1ccc(C#N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 20/20 1.00
FNTB P49356 19/20 1.00
PGGT1B P53609 5/20 0.73
NRAS P01111 1/20 0.43
HRAS P01112 1/20 0.43
KCNH2 Q12809 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7855591 0.88 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL445625 0.85 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL445627 0.85 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL31472029 0.85 FNTA (1.00) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL14370795 0.80 FNTA (0.78) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL445940 0.80 FNTA (0.88) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL445938 0.80 FNTA (0.88) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL9082833 0.79 FNTA (0.84) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL9082830 0.79 FNTA (0.84) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL9083210 0.79 FNTA (0.87) FNTAFNTBPGGT1BNRASHRAS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427418-B1 PIPERAZINONE COMPOUNDS AS ANTI-TUMOR AND ANTI-CANCER AGENTS UNIV YALE (US) 2009-11-11 EP disclosed